SCHEMBL16776441

SCHEMBL16776441

CCC#Cc1ccc(NC(=O)N2CCCCNc3ccc(-c4cccc(C(F)(F)F)c4)nc32)cc1-c1ccco1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 16/20 0.36
▸ RAF1 P04049 14/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ GSK3B P49841 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ HSPD1 P10809 1/20 0.33
▸ HSPE1 P61604 1/20 0.33
▸ PPIA P62937 1/20 0.33
▸ PPID Q08752 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16776442 0.86 CA2 (0.36) BRAFRAF1CA2CA9
SCHEMBL16776433 0.82 RHOA (0.34) BRAFRAF1CA2CA9
SCHEMBL16776430 0.80 CA2 (0.32) BRAFRAF1CA2CA9
SCHEMBL16776322 0.79 NPC1 (0.44) BRAFRAF1CA2CA9
SCHEMBL16776179 0.78 CA2 (0.45) CA2CA9TDP1
SCHEMBL16776165 0.78 CA2 (0.43) RAF1CA2CA9TDP1
SCHEMBL16776476 0.78 CA2 (0.43) BRAFCA2CA9
SCHEMBL16776412 0.78 FYN (0.41) BRAFRAF1CA2CA9
SCHEMBL16776432 0.77 CA2 (0.40) RAF1CA2CA9
SCHEMBL16775868 0.77 CA2 (0.43) BRAFRAF1CA2CA9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 BRAF 3419/4885RAF1 2875/4885CA2 4253/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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